SCHEMBL7649073

SCHEMBL7649073

C=CC(OC(C)=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.45
GLA P06280 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
JAK1 P23458 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10458582 0.87 CYP2A6 (0.38) TDP1CYP1A2TSHR
SCHEMBL28517755 0.87 UGT2B7 (0.44) UGT2B7MEN1KMT2AATMKDM4E
SCHEMBL61038 0.80 CYP3A4 (0.50) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL11353061 0.80 L3MBTL1 (0.46) UGT2B7MEN1KMT2AATMKDM4E
SCHEMBL4186797 0.79 UGT2B7 (0.52) UGT2B7GLAMEN1KMT2AATM
SCHEMBL9642843 0.78 PTGS2 (0.46) ALDH1A1CYP3A4MAPTPKMSMN1; SMN2
SCHEMBL7514315 0.78 UGT2B7 (0.55) UGT2B7GLAMEN1KMT2AATM
SCHEMBL10120468 0.78 UGT2B7 (0.55) UGT2B7GLAMEN1KMT2AATM
SCHEMBL6752515 0.77 LMNA (0.44) ALDH1A1TP53CYP3A4HPGDMAPK1
1'-Acetoxychavicol Acetate SCHEMBL3673490 0.76 LMNA (0.47) GLAMEN1KMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002017973-A2 PREPARING STERILE ARTICLES FROM CERTAIN POLYMERS OCCIDENTAL CHEMICAL CORPORATION (US) 2002-03-07 WO disclosed